============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. HIS 6 0.900 46.370 28.846 26.702 -99.200 -91.000 PHE 7 1.000 43.865 31.560 23.309 -99.200 -91.000 TYR 23 0.840 35.026 40.730 22.732 -99.200 -91.000 PHE 34 1.000 49.460 33.629 21.421 -99.200 -91.000 HIS 40 0.900 53.843 36.994 19.169 -99.200 -91.000 TYR 47 0.840 48.612 37.751 9.943 -99.200 -91.000 TYR 57 0.840 32.944 38.323 20.287 -99.200 -91.000 TRP 78 1.040 33.449 34.375 39.759 -99.200 -91.000 TRP6 78 1.020 33.925 32.740 38.121 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1cf7B1 GLY 68 HA2 -0.27 -0.01 0.20 -0.51 4.01 3.42 1cf7B1 GLY 68 HA3 -0.15 -0.07 0.16 -0.51 4.01 3.45 1cf7B1 LYS 69 H -0.13 0.16 0.10 -0.55 8.42 7.99 1cf7B1 LYS 69 HA -0.38 0.18 0.56 -0.75 4.32 3.92 1cf7B1 LYS 69 HB2 0.04 -0.00 -0.00 -0.04 1.87 1.86 1cf7B1 LYS 69 HB3 0.10 -0.25 0.19 -0.04 1.79 1.79 1cf7B1 LYS 69 HG2 0.29 0.30 0.06 -0.04 1.46 2.07 1cf7B1 LYS 69 HG3 0.18 -0.02 -0.36 -0.04 1.46 1.22 1cf7B1 LYS 69 HD2 0.16 -0.07 0.01 -0.04 1.69 1.75 1cf7B1 LYS 69 HD3 0.53 0.05 -0.03 -0.04 1.68 2.18 1cf7B1 LYS 69 HE2 0.17 0.04 -0.05 -0.04 2.99 3.11 1cf7B1 LYS 69 HE3 0.12 -0.06 -0.01 -0.04 2.99 3.00 1cf7B1 GLY 70 H 0.08 0.12 0.08 -0.55 8.43 8.16 1cf7B1 GLY 70 HA2 0.08 0.03 0.42 -0.51 4.01 4.03 1cf7B1 GLY 70 HA3 0.01 0.18 0.63 -0.51 4.01 4.33 1cf7B1 LEU 71 H 0.08 0.20 0.15 -0.55 8.37 8.26 1cf7B1 LEU 71 HA 0.17 0.05 0.32 -0.75 4.35 4.14 1cf7B1 LEU 71 HB2 0.07 0.01 0.19 -0.04 1.64 1.86 1cf7B1 LEU 71 HB3 0.06 0.07 0.01 -0.04 1.64 1.73 1cf7B1 LEU 71 HG 0.08 0.02 0.05 -0.04 1.64 1.74 1cf7B1 LEU 71 HD13 0.05 0.03 -0.05 -0.04 0.93 0.92 1cf7B1 LEU 71 HD23 0.09 -0.01 -0.03 -0.04 0.89 0.90 1cf7B1 ARG 72 H 0.03 0.08 -0.19 -0.55 8.46 7.83 1cf7B1 ARG 72 HA 0.02 0.05 0.37 -0.75 4.34 4.03 1cf7B1 ARG 72 HB2 0.02 -0.01 0.08 -0.04 1.90 1.95 1cf7B1 ARG 72 HB3 0.02 0.02 0.06 -0.04 1.80 1.85 1cf7B1 ARG 72 HG2 0.02 0.06 -0.16 -0.04 1.67 1.55 1cf7B1 ARG 72 HG3 0.01 -0.01 0.01 -0.04 1.67 1.64 1cf7B1 ARG 72 HD2 0.01 0.03 -0.02 -0.04 3.22 3.20 1cf7B1 ARG 72 HD3 0.02 -0.01 -0.00 -0.04 3.22 3.19 1cf7B1 HIS 73 H -0.01 0.35 -0.33 -0.55 8.41 7.86 1cf7B1 HIS 73 HA -0.10 0.09 0.49 -0.75 4.63 4.36 1cf7B1 HIS 73 HB2 -0.16 0.04 -0.01 -0.04 3.26 3.10 1cf7B1 HIS 73 HB3 -0.40 0.08 -0.15 -0.04 3.20 2.69 1cf7B1 HIS 73 HD2 -0.08 -0.02 -0.01 -0.04 6.97 6.81 1cf7B1 HIS 73 HE1 0.02 -0.03 -0.07 -0.04 7.75 7.63 1cf7B1 PHE 74 H -0.11 0.40 -0.19 -0.55 8.34 7.89 1cf7B1 PHE 74 HA -0.21 0.12 0.63 -0.75 4.62 4.41 1cf7B1 PHE 74 HB2 -0.02 0.02 0.00 -0.04 3.15 3.11 1cf7B1 PHE 74 HB3 -0.06 -0.05 -0.03 -0.04 3.06 2.88 1cf7B1 PHE 74 HD2 -0.03 -0.05 -0.11 -0.04 7.28 7.05 1cf7B1 PHE 74 HE2 0.02 -0.02 -0.04 -0.04 7.38 7.31 1cf7B1 PHE 74 HZ -0.36 0.05 0.00 -0.04 7.32 6.97 1cf7B1 SER 75 H 0.04 0.65 -0.08 -0.55 8.46 8.53 1cf7B1 SER 75 HA 0.05 -0.03 0.41 -0.75 4.49 4.16 1cf7B1 SER 75 HB2 0.02 0.12 0.01 -0.04 3.95 4.07 1cf7B1 SER 75 HB3 0.04 -0.01 0.02 -0.04 3.93 3.93 1cf7B1 MET 76 H -0.07 0.30 -0.44 -0.55 8.47 7.71 1cf7B1 MET 76 HA -0.02 0.07 0.46 -0.75 4.52 4.28 1cf7B1 MET 76 HB2 -0.04 0.07 0.08 -0.04 2.15 2.21 1cf7B1 MET 76 HB3 -0.13 0.14 0.04 -0.04 2.03 2.04 1cf7B1 MET 76 HG2 -0.04 -0.04 -0.08 -0.04 2.63 2.43 1cf7B1 MET 76 HG3 -0.02 -0.01 0.01 -0.04 2.56 2.50 1cf7B1 MET 76 HE3 -0.04 0.01 -0.08 -0.04 2.10 1.95 1cf7B1 LYS 77 H -0.13 0.25 -0.24 -0.55 8.42 7.76 1cf7B1 LYS 77 HA -0.06 0.07 0.43 -0.75 4.32 4.00 1cf7B1 LYS 77 HB2 0.04 0.06 0.20 -0.04 1.87 2.13 1cf7B1 LYS 77 HB3 0.01 -0.03 0.01 -0.04 1.79 1.73 1cf7B1 LYS 77 HG2 -0.40 0.20 0.09 -0.04 1.46 1.30 1cf7B1 LYS 77 HG3 0.03 -0.01 0.02 -0.04 1.46 1.46 1cf7B1 LYS 77 HD2 -0.01 -0.03 0.03 -0.04 1.69 1.64 1cf7B1 LYS 77 HD3 -0.07 -0.02 -0.04 -0.04 1.68 1.50 1cf7B1 LYS 77 HE2 0.06 0.04 -0.02 -0.04 2.99 3.03 1cf7B1 LYS 77 HE3 0.10 0.00 -0.02 -0.04 2.99 3.03 1cf7B1 VAL 78 H -0.00 0.60 -0.17 -0.55 8.24 8.12 1cf7B1 VAL 78 HA -0.04 -0.00 0.30 -0.75 4.13 3.63 1cf7B1 VAL 78 HB 0.02 0.08 0.13 -0.04 2.12 2.31 1cf7B1 VAL 78 HG13 0.02 -0.02 -0.28 -0.04 0.97 0.65 1cf7B1 VAL 78 HG23 -0.02 0.03 -0.01 -0.04 0.95 0.92 1cf7B1 CYS 79 H 0.01 0.60 -0.15 -0.55 8.50 8.41 1cf7B1 CYS 79 HA 0.06 -0.02 0.29 -0.75 4.58 4.15 1cf7B1 CYS 79 HB2 0.08 0.07 0.12 -0.04 2.97 3.20 1cf7B1 CYS 79 HB3 0.02 0.07 0.08 -0.04 2.97 3.10 1cf7B1 GLU 80 H -0.08 0.44 -0.45 -0.55 8.60 7.97 1cf7B1 GLU 80 HA -0.21 0.02 0.39 -0.75 4.29 3.74 1cf7B1 GLU 80 HB2 -0.08 0.09 0.14 -0.04 2.09 2.20 1cf7B1 GLU 80 HB3 -0.10 -0.05 -0.02 -0.04 1.99 1.77 1cf7B1 GLU 80 HG2 -0.07 -0.07 0.01 -0.04 2.34 2.16 1cf7B1 GLU 80 HG3 -0.06 0.27 0.08 -0.04 2.34 2.58 1cf7B1 LYS 81 H -0.10 0.57 -0.06 -0.55 8.42 8.28 1cf7B1 LYS 81 HA -0.10 0.01 0.29 -0.75 4.32 3.76 1cf7B1 LYS 81 HB2 -0.07 0.24 0.15 -0.04 1.87 2.15 1cf7B1 LYS 81 HB3 -0.07 -0.04 0.03 -0.04 1.79 1.66 1cf7B1 LYS 81 HG2 -0.07 -0.06 -0.04 -0.04 1.46 1.25 1cf7B1 LYS 81 HG3 -0.07 -0.03 -0.09 -0.04 1.46 1.23 1cf7B1 LYS 81 HD2 -0.06 -0.00 -0.02 -0.04 1.69 1.56 1cf7B1 LYS 81 HD3 -0.05 0.02 -0.04 -0.04 1.68 1.56 1cf7B1 LYS 81 HE2 -0.05 -0.01 -0.05 -0.04 2.99 2.84 1cf7B1 LYS 81 HE3 -0.05 -0.00 -0.05 -0.04 2.99 2.84 1cf7B1 VAL 82 H -0.11 0.56 -0.18 -0.55 8.24 7.97 1cf7B1 VAL 82 HA -0.06 -0.02 0.18 -0.75 4.13 3.49 1cf7B1 VAL 82 HB 0.00 0.10 -0.04 -0.04 2.12 2.14 1cf7B1 VAL 82 HG13 0.24 -0.00 -0.39 -0.04 0.97 0.78 1cf7B1 VAL 82 HG23 0.03 -0.00 -0.16 -0.04 0.95 0.78 1cf7B1 GLN 83 H -0.68 0.43 -0.20 -0.55 8.47 7.47 1cf7B1 GLN 83 HA -1.45 -0.01 0.38 -0.75 4.36 2.52 1cf7B1 GLN 83 HB2 -2.57 0.01 0.14 -0.04 2.15 -0.31 1cf7B1 GLN 83 HB3 -0.81 0.08 0.18 -0.04 2.02 1.43 1cf7B1 GLN 83 HG2 -0.52 0.01 -0.13 -0.04 2.40 1.71 1cf7B1 GLN 83 HG3 -1.37 -0.01 0.05 -0.04 2.39 1.02 1cf7B1 GLN 83 HE21 -0.05 -0.04 0.00 -0.04 6.97 6.84 1cf7B1 GLN 83 HE22 -0.26 0.03 0.00 -0.04 7.69 7.42 1cf7B1 ARG 84 H -0.32 0.67 -0.09 -0.55 8.46 8.16 1cf7B1 ARG 84 HA -0.17 -0.02 0.29 -0.75 4.34 3.68 1cf7B1 ARG 84 HB2 -0.14 -0.06 0.08 -0.04 1.90 1.73 1cf7B1 ARG 84 HB3 -0.13 0.08 0.06 -0.04 1.80 1.76 1cf7B1 ARG 84 HG2 -0.07 -0.01 -0.16 -0.04 1.67 1.38 1cf7B1 ARG 84 HG3 -0.08 -0.01 0.12 -0.04 1.67 1.66 1cf7B1 ARG 84 HD2 -0.06 -0.03 -0.03 -0.04 3.22 3.05 1cf7B1 ARG 84 HD3 -0.05 -0.04 -0.01 -0.04 3.22 3.08 1cf7B1 LYS 85 H -0.14 0.42 -0.40 -0.55 8.42 7.75 1cf7B1 LYS 85 HA -0.05 0.16 1.00 -0.75 4.32 4.67 1cf7B1 LYS 85 HB2 -0.05 0.02 -0.06 -0.04 1.87 1.74 1cf7B1 LYS 85 HB3 -0.03 0.05 0.06 -0.04 1.79 1.83 1cf7B1 LYS 85 HG2 -0.04 0.00 0.01 -0.04 1.46 1.38 1cf7B1 LYS 85 HG3 -0.06 0.04 -0.11 -0.04 1.46 1.29 1cf7B1 LYS 85 HD2 -0.04 -0.08 -0.11 -0.04 1.69 1.41 1cf7B1 LYS 85 HD3 -0.03 -0.02 0.01 -0.04 1.68 1.60 1cf7B1 LYS 85 HE2 -0.05 0.02 -0.06 -0.04 2.99 2.86 1cf7B1 LYS 85 HE3 -0.04 -0.08 -0.05 -0.04 2.99 2.78 1cf7B1 GLY 86 H -0.09 0.55 -0.10 -0.55 8.43 8.24 1cf7B1 GLY 86 HA2 0.08 -0.01 0.47 -0.51 4.01 4.04 1cf7B1 GLY 86 HA3 0.03 0.03 0.47 -0.51 4.01 4.03 1cf7B1 THR 87 H 0.02 0.85 0.20 -0.55 8.28 8.80 1cf7B1 THR 87 HA 0.06 0.20 1.03 -0.75 4.39 4.92 1cf7B1 THR 87 HB 0.03 -0.01 0.11 -0.04 4.32 4.40 1cf7B1 THR 87 HG23 0.03 -0.02 -0.01 -0.04 1.22 1.18 1cf7B1 THR 88 H 0.04 0.76 0.37 -0.55 8.28 8.91 1cf7B1 THR 88 HA 0.01 0.12 0.53 -0.75 4.39 4.29 1cf7B1 THR 88 HB -0.01 0.26 -0.27 -0.04 4.32 4.26 1cf7B1 THR 88 HG23 0.01 -0.01 -0.33 -0.04 1.22 0.84 1cf7B1 SER 89 H -0.00 0.16 0.20 -0.55 8.46 8.28 1cf7B1 SER 89 HA 0.05 0.27 0.98 -0.75 4.49 5.03 1cf7B1 SER 89 HB2 0.06 0.02 0.18 -0.04 3.95 4.17 1cf7B1 SER 89 HB3 0.03 0.17 -0.00 -0.04 3.93 4.09 1cf7B1 TYR 90 H 0.15 0.26 0.15 -0.55 8.29 8.30 1cf7B1 TYR 90 HA -0.07 0.10 0.33 -0.75 4.56 4.17 1cf7B1 TYR 90 HB2 -0.01 0.06 0.11 -0.04 3.06 3.18 1cf7B1 TYR 90 HB3 -0.00 -0.03 0.16 -0.04 2.98 3.06 1cf7B1 TYR 90 HD2 -0.19 -0.01 -0.11 -0.04 7.15 6.79 1cf7B1 TYR 90 HE2 -0.81 0.02 -0.06 -0.04 6.85 5.96 1cf7B1 ASN 91 H 0.14 0.12 -0.12 -0.55 8.53 8.12 1cf7B1 ASN 91 HA -0.17 0.09 0.43 -0.75 4.76 4.35 1cf7B1 ASN 91 HB2 0.07 -0.00 0.08 -0.04 2.88 2.99 1cf7B1 ASN 91 HB3 0.02 0.07 -0.03 -0.04 2.79 2.81 1cf7B1 ASN 91 HD21 0.21 0.06 -0.01 -0.04 7.03 7.25 1cf7B1 ASN 91 HD22 0.21 -0.05 0.04 -0.04 7.74 7.90 1cf7B1 GLU 92 H -0.04 0.06 -0.25 -0.55 8.60 7.82 1cf7B1 GLU 92 HA -0.05 0.08 0.41 -0.75 4.29 3.97 1cf7B1 GLU 92 HB2 -0.02 -0.01 0.12 -0.04 2.09 2.13 1cf7B1 GLU 92 HB3 -0.04 -0.06 0.18 -0.04 1.99 2.03 1cf7B1 GLU 92 HG2 -0.04 0.04 -0.14 -0.04 2.34 2.16 1cf7B1 GLU 92 HG3 -0.03 -0.00 0.05 -0.04 2.34 2.31 1cf7B1 VAL 93 H -0.12 0.59 -0.10 -0.55 8.24 8.06 1cf7B1 VAL 93 HA -0.10 0.07 0.30 -0.75 4.13 3.64 1cf7B1 VAL 93 HB -0.23 0.05 0.14 -0.04 2.12 2.03 1cf7B1 VAL 93 HG13 -0.13 -0.01 -0.14 -0.04 0.97 0.65 1cf7B1 VAL 93 HG23 -0.06 0.06 -0.10 -0.04 0.95 0.80 1cf7B1 ALA 94 H -0.42 0.69 0.01 -0.55 8.40 8.13 1cf7B1 ALA 94 HA -0.29 -0.00 0.33 -0.75 4.34 3.62 1cf7B1 ALA 94 HB3 -0.57 -0.01 0.07 -0.04 1.41 0.86 1cf7B1 ASP 95 H -0.16 0.62 -0.07 -0.55 8.40 8.24 1cf7B1 ASP 95 HA -0.08 -0.03 0.37 -0.75 4.63 4.13 1cf7B1 ASP 95 HB2 -0.06 0.11 0.14 -0.04 2.71 2.86 1cf7B1 ASP 95 HB3 -0.05 -0.03 0.04 -0.04 2.70 2.62 1cf7B1 GLU 96 H -0.09 0.53 -0.25 -0.55 8.60 8.24 1cf7B1 GLU 96 HA -0.04 0.02 0.52 -0.75 4.29 4.03 1cf7B1 GLU 96 HB2 -0.06 0.16 0.12 -0.04 2.09 2.27 1cf7B1 GLU 96 HB3 -0.04 -0.04 0.01 -0.04 1.99 1.88 1cf7B1 GLU 96 HG2 -0.03 -0.06 0.02 -0.04 2.34 2.22 1cf7B1 GLU 96 HG3 -0.05 0.12 0.07 -0.04 2.34 2.44 1cf7B1 LEU 97 H -0.09 0.50 -0.08 -0.55 8.37 8.15 1cf7B1 LEU 97 HA 0.02 0.07 0.55 -0.75 4.35 4.23 1cf7B1 LEU 97 HB2 -0.16 0.05 0.09 -0.04 1.64 1.58 1cf7B1 LEU 97 HB3 -0.04 -0.06 0.02 -0.04 1.64 1.51 1cf7B1 LEU 97 HG -0.10 0.23 -0.03 -0.04 1.64 1.69 1cf7B1 LEU 97 HD13 -0.04 -0.03 -0.09 -0.04 0.93 0.73 1cf7B1 LEU 97 HD23 -0.01 -0.01 -0.12 -0.04 0.89 0.71 1cf7B1 VAL 98 H -0.09 0.63 -0.08 -0.55 8.24 8.14 1cf7B1 VAL 98 HA -0.05 -0.01 0.40 -0.75 4.13 3.71 1cf7B1 VAL 98 HB -0.07 0.13 0.18 -0.04 2.12 2.32 1cf7B1 VAL 98 HG13 -0.02 -0.01 -0.11 -0.04 0.97 0.78 1cf7B1 VAL 98 HG23 -0.14 0.01 0.03 -0.04 0.95 0.82 1cf7B1 SER 99 H -0.02 0.62 -0.06 -0.55 8.46 8.45 1cf7B1 SER 99 HA -0.01 0.00 0.35 -0.75 4.49 4.08 1cf7B1 SER 99 HB2 -0.02 0.06 0.13 -0.04 3.95 4.08 1cf7B1 SER 99 HB3 -0.01 0.07 0.13 -0.04 3.93 4.08 1cf7B1 GLU 100 H 0.03 0.44 -0.30 -0.55 8.60 8.22 1cf7B1 GLU 100 HA 0.02 0.03 0.39 -0.75 4.29 3.98 1cf7B1 GLU 100 HB2 0.08 0.09 0.18 -0.04 2.09 2.39 1cf7B1 GLU 100 HB3 0.07 -0.04 -0.04 -0.04 1.99 1.93 1cf7B1 GLU 100 HG2 0.02 -0.05 0.02 -0.04 2.34 2.28 1cf7B1 GLU 100 HG3 0.01 0.04 0.07 -0.04 2.34 2.42 1cf7B1 PHE 101 H 0.22 0.56 -0.06 -0.55 8.34 8.50 1cf7B1 PHE 101 HA 0.05 0.01 0.42 -0.75 4.62 4.34 1cf7B1 PHE 101 HB2 0.14 0.03 0.14 -0.04 3.15 3.43 1cf7B1 PHE 101 HB3 0.01 0.06 0.15 -0.04 3.06 3.24 1cf7B1 PHE 101 HD2 0.12 0.05 -0.10 -0.04 7.28 7.31 1cf7B1 PHE 101 HE2 0.19 0.07 -0.03 -0.04 7.38 7.56 1cf7B1 PHE 101 HZ 0.15 -0.05 -0.04 -0.04 7.32 7.34 1cf7B1 THR 102 H 0.08 0.67 -0.15 -0.55 8.28 8.33 1cf7B1 THR 102 HA -0.75 -0.04 0.35 -0.75 4.39 3.20 1cf7B1 THR 102 HB -0.05 0.12 0.10 -0.04 4.32 4.45 1cf7B1 THR 102 HG23 -0.09 -0.03 -0.15 -0.04 1.22 0.91 1cf7B1 ASN 103 H -0.06 0.40 -0.36 -0.55 8.53 7.96 1cf7B1 ASN 103 HA -0.05 0.16 0.88 -0.75 4.76 4.99 1cf7B1 ASN 103 HB2 -0.02 0.07 0.11 -0.04 2.88 2.99 1cf7B1 ASN 103 HB3 -0.02 -0.09 0.17 -0.04 2.79 2.81 1cf7B1 ASN 103 HD21 -0.01 -0.06 -0.01 -0.04 7.03 6.91 1cf7B1 ASN 103 HD22 -0.01 -0.02 0.03 -0.04 7.74 7.70 1cf7B1 SER 104 H -0.15 0.39 -0.49 -0.55 8.46 7.65 1cf7B1 SER 104 HA -0.06 -0.01 0.46 -0.75 4.49 4.13 1cf7B1 SER 104 HB2 -0.20 0.05 0.15 -0.04 3.95 3.91 1cf7B1 SER 104 HB3 -0.22 0.18 0.12 -0.04 3.93 3.96 1cf7B1 ASN 105 H -0.04 0.11 0.20 -0.55 8.53 8.25 1cf7B1 ASN 105 HA -0.01 0.16 0.37 -0.75 4.76 4.52 1cf7B1 ASN 105 HB2 -0.01 0.01 0.11 -0.04 2.88 2.95 1cf7B1 ASN 105 HB3 -0.02 0.02 0.17 -0.04 2.79 2.92 1cf7B1 ASN 105 HD21 -0.02 -0.02 -0.07 -0.04 7.03 6.88 1cf7B1 ASN 105 HD22 -0.02 0.01 -0.06 -0.04 7.74 7.63 1cf7B1 ASN 106 H -0.04 0.02 -0.23 -0.55 8.53 7.73 1cf7B1 ASN 106 HA -0.02 0.22 0.70 -0.75 4.76 4.89 1cf7B1 ASN 106 HB2 -0.04 -0.00 0.13 -0.04 2.88 2.93 1cf7B1 ASN 106 HB3 -0.04 -0.03 0.03 -0.04 2.79 2.71 1cf7B1 ASN 106 HD21 -0.10 0.04 -0.01 -0.04 7.03 6.92 1cf7B1 ASN 106 HD22 -0.06 -0.04 0.02 -0.04 7.74 7.62 1cf7B1 HIS 107 H 0.04 0.44 -0.54 -0.55 8.41 7.81 1cf7B1 HIS 107 HA -0.08 0.05 0.69 -0.75 4.63 4.54 1cf7B1 HIS 107 HB2 -0.23 -0.05 -0.04 -0.04 3.26 2.91 1cf7B1 HIS 107 HB3 -0.09 0.29 0.03 -0.04 3.20 3.39 1cf7B1 HIS 107 HD2 -0.07 -0.03 -0.09 -0.04 6.97 6.73 1cf7B1 HIS 107 HE1 0.08 -0.12 -0.26 -0.04 7.75 7.41 1cf7B1 LEU 108 H -0.62 0.13 0.14 -0.55 8.37 7.47 1cf7B1 LEU 108 HA -0.09 0.25 0.99 -0.75 4.35 4.75 1cf7B1 LEU 108 HB2 -0.19 -0.01 0.17 -0.04 1.64 1.57 1cf7B1 LEU 108 HB3 -0.10 -0.17 -0.02 -0.04 1.64 1.31 1cf7B1 LEU 108 HG -0.06 -0.03 0.01 -0.04 1.64 1.52 1cf7B1 LEU 108 HD13 -0.04 0.04 -0.05 -0.04 0.93 0.83 1cf7B1 LEU 108 HD23 -0.08 0.02 -0.02 -0.04 0.89 0.77 1cf7B1 ALA 109 H 0.02 0.26 0.15 -0.55 8.40 8.28 1cf7B1 ALA 109 HA 0.18 0.11 0.31 -0.75 4.34 4.18 1cf7B1 ALA 109 HB3 0.06 0.03 0.10 -0.04 1.41 1.56 1cf7B1 ALA 110 H 0.00 0.09 -0.27 -0.55 8.40 7.68 1cf7B1 ALA 110 HA 0.08 0.08 0.47 -0.75 4.34 4.22 1cf7B1 ALA 110 HB3 0.01 0.01 0.06 -0.04 1.41 1.45 1cf7B1 ASP 111 H -0.01 0.55 -0.19 -0.55 8.40 8.20 1cf7B1 ASP 111 HA 0.15 0.13 0.75 -0.75 4.63 4.91 1cf7B1 ASP 111 HB2 -0.11 0.13 0.09 -0.04 2.71 2.78 1cf7B1 ASP 111 HB3 0.08 -0.06 0.12 -0.04 2.70 2.80 1cf7B1 SER 112 H 0.22 0.35 -0.29 -0.55 8.46 8.20 1cf7B1 SER 112 HA 0.31 0.07 0.42 -0.75 4.49 4.54 1cf7B1 SER 112 HB2 0.13 0.00 0.10 -0.04 3.95 4.13 1cf7B1 SER 112 HB3 0.11 -0.04 0.02 -0.04 3.93 3.98 1cf7B1 ALA 113 H 0.11 0.14 -0.04 -0.55 8.40 8.07 1cf7B1 ALA 113 HA -0.04 0.01 0.47 -0.75 4.34 4.02 1cf7B1 ALA 113 HB3 -0.24 0.00 0.08 -0.04 1.41 1.21 1cf7B1 TYR 114 H 0.23 0.12 -0.15 -0.55 8.29 7.93 1cf7B1 TYR 114 HA 0.02 -0.01 0.51 -0.75 4.56 4.33 1cf7B1 TYR 114 HB2 0.05 0.13 -0.05 -0.04 3.06 3.14 1cf7B1 TYR 114 HB3 0.03 -0.04 0.10 -0.04 2.98 3.03 1cf7B1 TYR 114 HD2 0.03 0.01 0.00 -0.04 7.15 7.16 1cf7B1 TYR 114 HE2 0.02 0.12 0.06 -0.04 6.85 7.01 1cf7B1 ASP 115 H 0.10 0.01 0.06 -0.55 8.40 8.01 1cf7B1 ASP 115 HA -0.03 -0.03 0.38 -0.75 4.63 4.20 1cf7B1 ASP 115 HB2 0.21 0.79 0.79 -0.04 2.71 4.46 1cf7B1 ASP 115 HB3 0.12 -0.07 0.07 -0.04 2.70 2.78 1cf7B1 GLN 116 H 0.04 1.01 -0.32 -0.55 8.47 8.66 1cf7B1 GLN 116 HA -0.07 -0.00 0.42 -0.75 4.36 3.95 1cf7B1 GLN 116 HB2 0.00 0.10 0.12 -0.04 2.15 2.33 1cf7B1 GLN 116 HB3 -0.02 0.14 0.18 -0.04 2.02 2.28 1cf7B1 GLN 116 HG2 -0.03 -0.06 -0.23 -0.04 2.40 2.04 1cf7B1 GLN 116 HG3 -0.04 -0.05 0.01 -0.04 2.39 2.27 1cf7B1 GLN 116 HE21 -0.01 0.00 -0.02 -0.04 6.97 6.90 1cf7B1 GLN 116 HE22 -0.02 -0.02 -0.02 -0.04 7.69 7.58 1cf7B1 LYS 117 H -0.03 0.54 -0.10 -0.55 8.42 8.27 1cf7B1 LYS 117 HA -0.01 0.07 0.34 -0.75 4.32 3.97 1cf7B1 LYS 117 HB2 -0.01 -0.14 0.11 -0.04 1.87 1.80 1cf7B1 LYS 117 HB3 -0.00 -0.00 -0.01 -0.04 1.79 1.73 1cf7B1 LYS 117 HG2 -0.04 -0.02 0.06 -0.04 1.46 1.42 1cf7B1 LYS 117 HG3 -0.09 0.32 0.12 -0.04 1.46 1.77 1cf7B1 LYS 117 HD2 -0.05 -0.03 -0.00 -0.04 1.69 1.56 1cf7B1 LYS 117 HD3 -0.02 -0.02 0.00 -0.04 1.68 1.60 1cf7B1 LYS 117 HE2 -0.15 0.01 -0.04 -0.04 2.99 2.77 1cf7B1 LYS 117 HE3 -0.06 -0.00 -0.01 -0.04 2.99 2.87 1cf7B1 ASN 118 H -0.01 -0.08 -0.29 -0.55 8.53 7.60 1cf7B1 ASN 118 HA -0.01 0.06 0.44 -0.75 4.76 4.50 1cf7B1 ASN 118 HB2 0.02 -0.19 0.16 -0.04 2.88 2.83 1cf7B1 ASN 118 HB3 -0.06 0.13 0.10 -0.04 2.79 2.91 1cf7B1 ASN 118 HD21 0.04 0.03 0.02 -0.04 7.03 7.08 1cf7B1 ASN 118 HD22 0.04 -0.02 0.02 -0.04 7.74 7.74 1cf7B1 ILE 119 H -0.20 1.09 -0.02 -0.55 8.25 8.57 1cf7B1 ILE 119 HA -0.58 -0.03 0.43 -0.75 4.18 3.23 1cf7B1 ILE 119 HB -0.30 0.10 0.13 -0.04 1.89 1.78 1cf7B1 ILE 119 HG12 -1.00 -0.08 0.00 -0.04 1.49 0.37 1cf7B1 ILE 119 HG13 -0.46 0.15 0.08 -0.04 1.21 0.94 1cf7B1 ILE 119 HG23 -0.62 -0.03 -0.10 -0.04 0.93 0.14 1cf7B1 ILE 119 HD13 -0.47 0.00 -0.11 -0.04 0.88 0.27 1cf7B1 ARG 120 H -0.12 0.60 -0.22 -0.55 8.46 8.17 1cf7B1 ARG 120 HA -0.13 -0.05 0.34 -0.75 4.34 3.74 1cf7B1 ARG 120 HB2 0.01 0.18 0.20 -0.04 1.90 2.25 1cf7B1 ARG 120 HB3 0.13 -0.06 -0.00 -0.04 1.80 1.83 1cf7B1 ARG 120 HG2 -0.03 -0.10 0.01 -0.04 1.67 1.51 1cf7B1 ARG 120 HG3 -0.08 0.10 0.05 -0.04 1.67 1.70 1cf7B1 ARG 120 HD2 0.00 0.02 -0.13 -0.04 3.22 3.07 1cf7B1 ARG 120 HD3 0.08 -0.03 -0.03 -0.04 3.22 3.20 1cf7B1 ARG 121 H 0.01 0.45 -0.12 -0.55 8.46 8.25 1cf7B1 ARG 121 HA 0.27 0.04 0.45 -0.75 4.34 4.34 1cf7B1 ARG 121 HB2 0.08 0.01 0.10 -0.04 1.90 2.04 1cf7B1 ARG 121 HB3 0.04 0.06 0.13 -0.04 1.80 2.00 1cf7B1 ARG 121 HG2 0.05 -0.01 -0.01 -0.04 1.67 1.66 1cf7B1 ARG 121 HG3 0.08 -0.03 -0.19 -0.04 1.67 1.49 1cf7B1 ARG 121 HD2 0.16 -0.03 0.13 -0.04 3.22 3.44 1cf7B1 ARG 121 HD3 0.05 0.02 0.03 -0.04 3.22 3.28 1cf7B1 ARG 122 H -0.06 0.53 -0.20 -0.55 8.46 8.18 1cf7B1 ARG 122 HA 0.05 -0.02 0.41 -0.75 4.34 4.02 1cf7B1 ARG 122 HB2 -0.23 0.18 0.19 -0.04 1.90 1.99 1cf7B1 ARG 122 HB3 0.05 -0.13 0.00 -0.04 1.80 1.69 1cf7B1 ARG 122 HG2 -0.04 0.41 0.11 -0.04 1.67 2.11 1cf7B1 ARG 122 HG3 0.07 -0.10 -0.04 -0.04 1.67 1.56 1cf7B1 ARG 122 HD2 0.12 -0.13 -0.00 -0.04 3.22 3.17 1cf7B1 ARG 122 HD3 0.07 -0.03 0.05 -0.04 3.22 3.28 1cf7B1 VAL 123 H -0.15 0.65 -0.08 -0.55 8.24 8.12 1cf7B1 VAL 123 HA -0.07 -0.03 0.26 -0.75 4.13 3.53 1cf7B1 VAL 123 HB -0.31 0.13 0.08 -0.04 2.12 1.98 1cf7B1 VAL 123 HG13 -0.24 -0.02 -0.11 -0.04 0.97 0.56 1cf7B1 VAL 123 HG23 -0.26 0.04 -0.03 -0.04 0.95 0.66 1cf7B1 TYR 124 H 0.04 0.37 -0.36 -0.55 8.29 7.78 1cf7B1 TYR 124 HA 0.12 -0.02 0.39 -0.75 4.56 4.29 1cf7B1 TYR 124 HB2 0.04 0.17 0.14 -0.04 3.06 3.36 1cf7B1 TYR 124 HB3 0.02 -0.02 0.02 -0.04 2.98 2.95 1cf7B1 TYR 124 HD2 0.00 0.02 0.06 -0.04 7.15 7.19 1cf7B1 TYR 124 HE2 -0.33 -0.04 -0.03 -0.04 6.85 6.41 1cf7B1 ASP 125 H 0.14 0.36 -0.06 -0.55 8.40 8.29 1cf7B1 ASP 125 HA 0.09 0.03 0.35 -0.75 4.63 4.34 1cf7B1 ASP 125 HB2 0.08 0.12 0.19 -0.04 2.71 3.06 1cf7B1 ASP 125 HB3 0.06 -0.04 0.00 -0.04 2.70 2.68 1cf7B1 ALA 126 H 0.06 0.39 -0.20 -0.55 8.40 8.11 1cf7B1 ALA 126 HA 0.06 0.02 0.39 -0.75 4.34 4.05 1cf7B1 ALA 126 HB3 0.05 0.01 0.03 -0.04 1.41 1.46 1cf7B1 LEU 127 H 0.05 0.63 0.01 -0.55 8.37 8.52 1cf7B1 LEU 127 HA 0.07 -0.03 0.28 -0.75 4.35 3.91 1cf7B1 LEU 127 HB2 0.12 0.11 0.14 -0.04 1.64 1.96 1cf7B1 LEU 127 HB3 0.09 -0.04 -0.04 -0.04 1.64 1.61 1cf7B1 LEU 127 HG 0.02 0.06 0.06 -0.04 1.64 1.74 1cf7B1 LEU 127 HD13 0.08 -0.03 -0.11 -0.04 0.93 0.83 1cf7B1 LEU 127 HD23 0.05 -0.02 -0.10 -0.04 0.89 0.78 1cf7B1 ASN 128 H 0.09 0.59 -0.26 -0.55 8.53 8.40 1cf7B1 ASN 128 HA 0.06 0.01 0.36 -0.75 4.76 4.43 1cf7B1 ASN 128 HB2 0.07 0.12 0.11 -0.04 2.88 3.14 1cf7B1 ASN 128 HB3 0.04 -0.04 0.03 -0.04 2.79 2.78 1cf7B1 ASN 128 HD21 0.04 -0.06 -0.02 -0.04 7.03 6.96 1cf7B1 ASN 128 HD22 0.04 -0.01 -0.02 -0.04 7.74 7.71 1cf7B1 VAL 129 H 0.05 0.48 -0.03 -0.55 8.24 8.19 1cf7B1 VAL 129 HA 0.03 0.12 0.75 -0.75 4.13 4.27 1cf7B1 VAL 129 HB 0.03 -0.01 0.08 -0.04 2.12 2.17 1cf7B1 VAL 129 HG13 0.04 0.06 0.06 -0.04 0.97 1.09 1cf7B1 VAL 129 HG23 0.04 -0.00 -0.10 -0.04 0.95 0.85 1cf7B1 LEU 130 H 0.05 0.61 0.03 -0.55 8.37 8.51 1cf7B1 LEU 130 HA 0.04 0.03 0.34 -0.75 4.35 4.01 1cf7B1 LEU 130 HB2 0.07 0.26 0.06 -0.04 1.64 1.98 1cf7B1 LEU 130 HB3 0.08 0.01 -0.08 -0.04 1.64 1.60 1cf7B1 LEU 130 HG 0.13 -0.01 -0.08 -0.04 1.64 1.64 1cf7B1 LEU 130 HD13 0.08 0.00 -0.02 -0.04 0.93 0.95 1cf7B1 LEU 130 HD23 0.10 -0.03 -0.15 -0.04 0.89 0.77 1cf7B1 MET 131 H 0.04 0.46 -0.40 -0.55 8.47 8.03 1cf7B1 MET 131 HA 0.02 0.06 0.35 -0.75 4.52 4.20 1cf7B1 MET 131 HB2 0.05 0.10 0.04 -0.04 2.15 2.29 1cf7B1 MET 131 HB3 0.03 0.05 0.15 -0.04 2.03 2.22 1cf7B1 MET 131 HG2 0.02 0.00 -0.10 -0.04 2.63 2.51 1cf7B1 MET 131 HG3 0.03 0.10 -0.06 -0.04 2.56 2.58 1cf7B1 MET 131 HE3 0.06 -0.05 -0.17 -0.04 2.10 1.90 1cf7B1 ALA 132 H 0.02 0.39 -0.06 -0.55 8.40 8.20 1cf7B1 ALA 132 HA 0.00 0.02 0.42 -0.75 4.34 4.03 1cf7B1 ALA 132 HB3 0.01 -0.01 0.18 -0.04 1.41 1.55 1cf7B1 MET 133 H 0.00 0.29 -0.74 -0.55 8.47 7.48 1cf7B1 MET 133 HA -0.01 0.07 0.70 -0.75 4.52 4.53 1cf7B1 MET 133 HB2 -0.00 0.04 0.10 -0.04 2.15 2.25 1cf7B1 MET 133 HB3 -0.02 0.01 0.11 -0.04 2.03 2.10 1cf7B1 MET 133 HG2 0.01 0.06 -0.09 -0.04 2.63 2.57 1cf7B1 MET 133 HG3 0.01 -0.10 -0.05 -0.04 2.56 2.38 1cf7B1 MET 133 HE3 -0.00 -0.00 0.05 -0.04 2.10 2.11 1cf7B1 ASN 134 H -0.02 0.61 -0.19 -0.55 8.53 8.39 1cf7B1 ASN 134 HA -0.05 0.09 0.38 -0.75 4.76 4.43 1cf7B1 ASN 134 HB2 -0.04 -0.07 -0.26 -0.04 2.88 2.47 1cf7B1 ASN 134 HB3 -0.06 0.25 0.25 -0.04 2.79 3.19 1cf7B1 ASN 134 HD21 -0.07 -0.09 0.04 -0.04 7.03 6.88 1cf7B1 ASN 134 HD22 -0.07 0.08 0.08 -0.04 7.74 7.78 1cf7B1 ILE 135 H -0.06 0.36 -0.05 -0.55 8.25 7.95 1cf7B1 ILE 135 HA -0.29 0.28 0.72 -0.75 4.18 4.13 1cf7B1 ILE 135 HB -0.02 -0.00 0.05 -0.04 1.89 1.87 1cf7B1 ILE 135 HG12 -0.12 0.25 -0.10 -0.04 1.49 1.48 1cf7B1 ILE 135 HG13 -0.07 0.08 -0.26 -0.04 1.21 0.92 1cf7B1 ILE 135 HG23 -0.17 -0.07 -0.17 -0.04 0.93 0.47 1cf7B1 ILE 135 HD13 0.01 -0.05 0.02 -0.04 0.88 0.82 1cf7B1 ILE 136 H -0.05 0.25 0.01 -0.55 8.25 7.92 1cf7B1 ILE 136 HA -0.05 0.20 0.76 -0.75 4.18 4.34 1cf7B1 ILE 136 HB 0.13 -0.13 -0.05 -0.04 1.89 1.80 1cf7B1 ILE 136 HG12 0.06 -0.01 -0.41 -0.04 1.49 1.09 1cf7B1 ILE 136 HG13 0.05 0.08 -0.47 -0.04 1.21 0.83 1cf7B1 ILE 136 HG23 0.34 -0.03 -0.31 -0.04 0.93 0.89 1cf7B1 ILE 136 HD13 0.09 -0.02 -0.19 -0.04 0.88 0.73 1cf7B1 SER 137 H 0.06 0.67 0.30 -0.55 8.46 8.94 1cf7B1 SER 137 HA 0.01 0.22 0.58 -0.75 4.49 4.54 1cf7B1 SER 137 HB2 0.05 -0.42 0.36 -0.04 3.95 3.90 1cf7B1 SER 137 HB3 0.03 0.05 -0.04 -0.04 3.93 3.93 1cf7B1 LYS 138 H 0.05 -0.25 0.33 -0.55 8.42 7.99 1cf7B1 LYS 138 HA 0.05 -0.05 0.22 -0.75 4.32 3.78 1cf7B1 LYS 138 HB2 0.06 -0.08 -0.11 -0.04 1.87 1.70 1cf7B1 LYS 138 HB3 0.04 0.27 -0.12 -0.04 1.79 1.94 1cf7B1 LYS 138 HG2 0.06 0.03 -0.04 -0.04 1.46 1.47 1cf7B1 LYS 138 HG3 0.04 -0.02 -0.11 -0.04 1.46 1.34 1cf7B1 LYS 138 HD2 0.07 -0.09 -0.18 -0.04 1.69 1.45 1cf7B1 LYS 138 HD3 0.09 -0.01 -0.10 -0.04 1.68 1.62 1cf7B1 LYS 138 HE2 0.09 0.06 -0.05 -0.04 2.99 3.06 1cf7B1 LYS 138 HE3 0.05 -0.02 -0.05 -0.04 2.99 2.93 1cf7B1 GLU 139 H 0.03 0.85 0.14 -0.55 8.60 9.08 1cf7B1 GLU 139 HA 0.02 0.16 0.82 -0.75 4.29 4.53 1cf7B1 GLU 139 HB2 0.01 -0.00 0.05 -0.04 2.09 2.11 1cf7B1 GLU 139 HB3 0.01 0.12 -0.11 -0.04 1.99 1.97 1cf7B1 GLU 139 HG2 0.02 0.07 0.03 -0.04 2.34 2.42 1cf7B1 GLU 139 HG3 0.02 -0.04 0.15 -0.04 2.34 2.42 1cf7B1 LYS 140 H 0.02 0.20 0.03 -0.55 8.42 8.11 1cf7B1 LYS 140 HA 0.01 0.03 0.34 -0.75 4.32 3.94 1cf7B1 LYS 140 HB2 0.01 0.01 -0.04 -0.04 1.87 1.80 1cf7B1 LYS 140 HB3 0.01 0.22 0.17 -0.04 1.79 2.15 1cf7B1 LYS 140 HG2 0.01 0.02 0.07 -0.04 1.46 1.52 1cf7B1 LYS 140 HG3 0.01 -0.01 0.13 -0.04 1.46 1.54 1cf7B1 LYS 140 HD2 0.01 -0.04 0.02 -0.04 1.69 1.64 1cf7B1 LYS 140 HD3 0.00 0.02 0.03 -0.04 1.68 1.69 1cf7B1 LYS 140 HE2 -0.00 0.00 -0.00 -0.04 2.99 2.95 1cf7B1 LYS 140 HE3 0.00 0.02 0.01 -0.04 2.99 2.98 1cf7B1 LYS 141 H 0.03 0.08 -0.07 -0.55 8.42 7.92 1cf7B1 LYS 141 HA 0.05 -0.08 0.31 -0.75 4.32 3.85 1cf7B1 LYS 141 HB2 0.02 0.53 -0.00 -0.04 1.87 2.38 1cf7B1 LYS 141 HB3 0.03 -0.02 0.15 -0.04 1.79 1.91 1cf7B1 LYS 141 HG2 0.02 0.05 -0.01 -0.04 1.46 1.48 1cf7B1 LYS 141 HG3 0.04 -0.11 0.07 -0.04 1.46 1.42 1cf7B1 LYS 141 HD2 0.02 -0.07 -0.04 -0.04 1.69 1.56 1cf7B1 LYS 141 HD3 0.01 0.05 -0.21 -0.04 1.68 1.49 1cf7B1 LYS 141 HE2 0.01 0.04 -0.02 -0.04 2.99 2.98 1cf7B1 LYS 141 HE3 0.01 -0.05 -0.00 -0.04 2.99 2.91 1cf7B1 GLU 142 H 0.03 0.22 -0.82 -0.55 8.60 7.48 1cf7B1 GLU 142 HA 0.04 0.24 0.95 -0.75 4.29 4.76 1cf7B1 GLU 142 HB2 0.03 0.05 -0.03 -0.04 2.09 2.09 1cf7B1 GLU 142 HB3 0.03 0.11 0.11 -0.04 1.99 2.20 1cf7B1 GLU 142 HG2 0.03 -0.07 -0.29 -0.04 2.34 1.98 1cf7B1 GLU 142 HG3 0.03 0.03 -0.02 -0.04 2.34 2.33 1cf7B1 ILE 143 H 0.05 0.86 0.36 -0.55 8.25 8.96 1cf7B1 ILE 143 HA 0.06 -0.28 0.99 -0.75 4.18 4.19 1cf7B1 ILE 143 HB 0.05 0.10 -0.10 -0.04 1.89 1.90 1cf7B1 ILE 143 HG12 0.07 0.06 -0.09 -0.04 1.49 1.50 1cf7B1 ILE 143 HG13 0.07 -0.09 -0.32 -0.04 1.21 0.82 1cf7B1 ILE 143 HG23 0.08 0.01 -0.29 -0.04 0.93 0.69 1cf7B1 ILE 143 HD13 0.08 -0.03 -0.18 -0.04 0.88 0.71 1cf7B1 LYS 144 H 0.07 -0.09 0.30 -0.55 8.42 8.15 1cf7B1 LYS 144 HA 0.11 0.35 1.11 -0.75 4.32 5.14 1cf7B1 LYS 144 HB2 0.05 0.00 0.03 -0.04 1.87 1.91 1cf7B1 LYS 144 HB3 0.08 0.18 0.13 -0.04 1.79 2.13 1cf7B1 LYS 144 HG2 0.05 0.06 -0.34 -0.04 1.46 1.19 1cf7B1 LYS 144 HG3 0.04 -0.11 -0.29 -0.04 1.46 1.06 1cf7B1 LYS 144 HD2 0.03 -0.03 -0.08 -0.04 1.69 1.57 1cf7B1 LYS 144 HD3 0.03 0.04 -0.05 -0.04 1.68 1.65 1cf7B1 LYS 144 HE2 0.05 0.11 -0.00 -0.04 2.99 3.11 1cf7B1 LYS 144 HE3 0.04 -0.02 -0.03 -0.04 2.99 2.94 1cf7B1 TRP 145 H 0.29 0.58 0.27 -0.55 7.97 8.56 1cf7B1 TRP 145 HA 0.00 -0.01 0.47 -0.75 4.62 4.33 1cf7B1 TRP 145 HB2 -0.00 0.03 -0.04 -0.04 3.23 3.18 1cf7B1 TRP 145 HB3 0.00 0.04 0.14 -0.04 3.23 3.36 1cf7B1 TRP 145 HD1 -0.00 -0.02 0.00 -0.04 7.22 7.16 1cf7B1 TRP 145 HE1 -0.00 -0.05 0.04 -0.04 10.20 10.15 1cf7B1 TRP 145 HE3 -0.00 -0.07 -0.08 -0.04 7.59 7.39 1cf7B1 TRP 145 HZ2 -0.00 -0.06 0.03 -0.04 7.44 7.37 1cf7B1 TRP 145 HZ3 -0.00 -0.07 -0.08 -0.04 7.13 6.94 1cf7B1 TRP 145 HH2 -0.00 -0.04 -0.02 -0.04 7.19 7.08 1cf7B1 ILE 146 H -1.49 0.21 0.07 -0.55 8.25 6.49 1cf7B1 ILE 146 HA -0.34 0.07 0.66 -0.75 4.18 3.82 1cf7B1 ILE 146 HB -0.45 0.10 -0.06 -0.04 1.89 1.44 1cf7B1 ILE 146 HG12 -0.15 -0.15 -0.68 -0.04 1.49 0.46 1cf7B1 ILE 146 HG13 -0.14 0.06 -0.40 -0.04 1.21 0.69 1cf7B1 ILE 146 HG23 -0.23 0.02 0.02 -0.04 0.93 0.70 1cf7B1 ILE 146 HD13 -0.09 0.09 -0.03 -0.04 0.88 0.81 1cf7B1 GLY 147 H -0.69 0.41 0.28 -0.55 8.43 7.89 1cf7B1 GLY 147 HA2 -0.76 -0.05 0.57 -0.51 4.01 3.26 1cf7B1 GLY 147 HA3 -0.35 0.04 0.32 -0.51 4.01 3.51 1cf7B1 LEU 148 H -0.05 0.04 0.15 -0.55 8.37 7.97 1cf7B1 LEU 148 HA -0.05 0.01 0.32 -0.75 4.35 3.88 1cf7B1 LEU 148 HB2 0.04 -0.01 0.15 -0.04 1.64 1.78 1cf7B1 LEU 148 HB3 0.03 -0.02 -0.07 -0.04 1.64 1.54 1cf7B1 LEU 148 HG 0.24 -0.02 0.10 -0.04 1.64 1.93 1cf7B1 LEU 148 HD13 0.10 -0.01 0.01 -0.04 0.93 0.99 1cf7B1 LEU 148 HD23 0.15 -0.00 0.02 -0.04 0.89 1.01 1cf7B1 PRO 149 HA -0.02 0.07 0.32 -0.51 4.44 4.30 1cf7B1 PRO 149 HB2 -0.03 0.06 0.05 -0.04 2.28 2.31 1cf7B1 PRO 149 HB3 -0.02 0.01 0.08 -0.04 2.02 2.04 1cf7B1 PRO 149 HG2 -0.01 0.02 0.03 -0.04 2.03 2.03 1cf7B1 PRO 149 HG3 -0.00 0.00 0.02 -0.04 2.03 2.01 1cf7B1 PRO 149 HD2 -0.05 0.15 -0.07 -0.04 3.68 3.66 1cf7B1 PRO 149 HD3 -0.01 -0.01 0.08 -0.04 3.65 3.66